2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride

C83H92BCl4N23O4 — CID 158696302

About 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride

2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride (PubChem CID 158696302) has the molecular formula C83H92BCl4N23O4 and a molecular weight of 1628.43 g/mol. Its IUPAC name is 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride
• PubChem CID: 158696302
• Molecular Formula: C83H92BCl4N23O4
• Molecular Weight: 1628.43 g/mol
• Exact Mass: 1625.65
• IUPAC Name: 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride
• SMILES: CC1(C)OB(c2ccn(C3CCCCO3)n2)OC1(C)C.CCc1cccc(CCl)n1.CCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)nn2)n1.Cl.Cl.Nc1nc(-c2ccccc2)cc(-c2ccn(C3CCCCO3)n2)n1.Nc1nc(-c2ccccc2)cc(-c2ccn[nH]2)n1.Nc1nc(Cl)cc(-c2ccccc2)n1
• InChI: InChI=1S/C20H19N7.C18H19N5O.C14H23BN2O3.C13H11N5.C10H8ClN3.C8H10ClN.2ClH/c1-2-15-9-6-10-16(22-15)12-27-13-19(25-26-27)18-11-17(23-20(21)24-18)14-7-4-3-5-8-14;19-18-20-15(13-6-2-1-3-7-13)12-16(21-18)14-9-10-23(22-14)17-8-4-5-11-24-17;1-13(2)14(3,4)20-15(19-13)11-8-9-17(16-11)12-7-5-6-10-18-12;14-13-16-11(9-4-2-1-3-5-9)8-12(17-13)10-6-7-15-18-10;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;1-2-7-4-3-5-8(6-9)10-7;;/h3-11,13H,2,12H2,1H3,(H2,21,23,24);1-3,6-7,9-10,12,17H,4-5,8,11H2,(H2,19,20,21);8-9,12H,5-7,10H2,1-4H3;1-8H,(H,15,18)(H2,14,16,17);1-6H,(H2,12,13,14);3-5H,2,6H2,1H3;2*1H
• InChIKey: HGDKMJPUQLSKNB-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 364.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1628.43
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride?

The IUPAC name of 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride (CID 158696302) is 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride.

What is the SMILES notation for 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride?

The canonical SMILES for 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride is CC1(C)OB(c2ccn(C3CCCCO3)n2)OC1(C)C.CCc1cccc(CCl)n1.CCc1cccc(Cn2cc(-c3cc(-c4ccccc4)nc(N)n3)nn2)n1.Cl.Cl.Nc1nc(-c2ccccc2)cc(-c2ccn(C3CCCCO3)n2)n1.Nc1nc(-c2ccccc2)cc(-c2ccn[nH]2)n1.Nc1nc(Cl)cc(-c2ccccc2)n1.

What is the InChIKey of 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride?

The InChIKey is HGDKMJPUQLSKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7.C18H19N5O.C14H23BN2O3.C13H11N5.C10H8ClN3.C8H10ClN.2ClH/c1-2-15-9-6-10-16(22-15)12-27-13-19(25-26-27)18-11-17(23-20(21)24-18)14-7-4-3-5-8-14;19-18-20-15(13-6-2-1-3-7-13)12-16(21-18)14-9-10-23(22-14)17-8-4-5-11-24-17;1-13(2)14(3,4)20-15(19-13)11-8-9-17(16-11)12-7-5-6-10-18-12;14-13-16-11(9-4-2-1-3-5-9)8-12(17-13)10-6-7-15-18-10;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;1-2-7-4-3-5-8(6-9)10-7;;/h3-11,13H,2,12H2,1H3,(H2,21,23,24);1-3,6-7,9-10,12,17H,4-5,8,11H2,(H2,19,20,21);8-9,12H,5-7,10H2,1-4H3;1-8H,(H,15,18)(H2,14,16,17);1-6H,(H2,12,13,14);3-5H,2,6H2,1H3;2*1H.

What are the key properties of 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride?

2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 1628.43 g/mol, XLogP of 15.88, 15 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-6-ethylpyridine;4-chloro-6-phenylpyrimidin-2-amine;4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-phenylpyrimidin-2-amine;4-[1-(oxan-2-yl)pyrazol-3-yl]-6-phenylpyrimidin-2-amine;1-(oxan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-phenyl-6-(1H-pyrazol-5-yl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 158696302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).